ethyl 1-[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC(=C3)C)C)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC(=C3)C)C)N

InChI

InChI=1S/C20H27N5O2/c1-4-27-20(26)15-5-7-25(8-6-15)19-17(21)18(22-12-23-19)24-16-10-13(2)9-14(3)11-16/h9-12,15H,4-8,21H2,1-3H3,(H,22,23,24)